2-butylimino-1,2-diphenylethanone

C18H19NO — CID 15148494

IUPAC2-butylimino-1,2-diphenylethanone
SMILESCCCC/N=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3/b19-17+
InChIKeyWIBOOWQWYGKPMJ-HTXNQAPBSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds6

About 2-butylimino-1,2-diphenylethanone

2-butylimino-1,2-diphenylethanone (PubChem CID 15148494) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-butylimino-1,2-diphenylethanone.

Molecular Properties

Compound Name2-butylimino-1,2-diphenylethanone
PubChem CID15148494
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-butylimino-1,2-diphenylethanone
SMILESCCCC/N=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3/b19-17+
InChIKeyWIBOOWQWYGKPMJ-HTXNQAPBSA-N
XLogP4.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-1,2-diphenylethanone?
The IUPAC name of 2-butylimino-1,2-diphenylethanone (CID 15148494) is 2-butylimino-1,2-diphenylethanone.
What is the SMILES notation for 2-butylimino-1,2-diphenylethanone?
The canonical SMILES for 2-butylimino-1,2-diphenylethanone is CCCC/N=C(/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-butylimino-1,2-diphenylethanone?
The InChIKey is WIBOOWQWYGKPMJ-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3/b19-17+.
What are the key properties of 2-butylimino-1,2-diphenylethanone?
2-butylimino-1,2-diphenylethanone has a molecular weight of 265.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-1,2-diphenylethanone is sourced from PubChem (CID 15148494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).